├── .gitignore ├── ChkReplace.py ├── G03_Environment ├── G09_Environment ├── G16_Environment ├── Gau_Environment ├── LICENSE ├── ProjectMenu ├── README ├── README_CN ├── Tests ├── Test 10.gjf ├── Test0,10.gjf ├── Test001.gjf ├── Test002.gjf ├── Test003.gjf ├── Test004.gjf ├── Test005.gjf ├── Test006.gjf ├── Test007.H ├── Test007.gjf ├── Test008.H ├── Test008.gjf ├── Test009.gjf ├── Test010.gjf ├── Test011.gjf └── qrm.sh ├── Usage ├── config ├── dft_d.py ├── gaussian_manage.py ├── run_xDH_using_Gaussian.py ├── version.txt ├── xDH-demo.pbs └── xDH_module.py /.gitignore: -------------------------------------------------------------------------------- 1 | *.pyc 2 | -------------------------------------------------------------------------------- /ChkReplace.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/igor-1982/xDH4Gau/HEAD/ChkReplace.py -------------------------------------------------------------------------------- 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